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3,5-Dihydroxybenzoic acid

CAT: 0127-OR18364-01Size: 25 gDry Ice: NoHazardous: No
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CAS Number
99-10-5
Synonyms
5-Carboxyresorcinol, 5-Carboxybenzene-1,3-diol
MDL Number
MFCD00002512
Purity
98%
Smiles
OC(=O)c1cc(O)cc(O)c1

Chemical Information

3,5-Dihydroxybenzoic Acid

3,5-dihydroxybenzoic acid is a dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 5. It has a role as a metabolite. It is a dihydroxybenzoic acid and a member of resorcinols. It is functionally related to a benzoic acid.

CAS Number99-10-5
PubChem CID7424
IUPAC Name3,5-dihydroxybenzoic acid
Molecular FormulaC7H6O4
Molecular Weight154.12
XLogP0.9
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
C1=C(C=C(C=C1O)O)C(=O)O
InChI
InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChIKey
UYEMGAFJOZZIFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dihydroxybenzoic Acid
CAS: 99-10-5
CID: 7424
Formula: C7H6O4
MW: 154.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.12
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass154.02660867
Monoisotopic Mass154.02660867
Topological Polar Surface Area77.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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